[gmx-users] Installing & uninstalling of gromacs
Spring buds
winterhot82 at gmail.com
Tue Jan 24 14:54:31 CET 2012
> Removing files in /usr/local/gromacs has no bearing on the contents of
> /usr/local/bin. If you did 'make links' at the end of the installation,
> you will have dead links in /usr/local/bin that need to be removed, as well.
>
> -Justin
>
Dear Justin,
Thanks a lot for your insight.
I did links in the end so there is links in */usr/local/bin*. After
uninstall I still have dead links with */usr/local/bin. *could you help me
how to remove this* *in* **/usr/local/bin*.
>
>
>>
>> try make uninstall in the directory where you used make install
>> before. like Path_to//gromacs-4.5.5
>> and then make distclean
>> for a totally clear re-installation, removed the /gromac-4.5.5 and
>>
>> re-untar the gromacs-4.5.5.tar.gz
>>
>> before that, further check the lib and bin have totally removed or not.
>>
>>
>> Sure. I will do now
>>
>>
>> Which OS you are working on?
>>
>>
>> Linux (CentOS 5.7)
>>
>> Thanks a lot.
>>
>>
>> >
>> >
>> > On Tue, Jan 24, 2012 at 2:31 AM, lina <lina.lastname at gmail.com
>> <mailto:lina.lastname at gmail.**com <lina.lastname at gmail.com>>> wrote:
>> >>
>> >> On 24 Jan, 2012, at 1:53, Spring buds <winterhot82 at gmail.com
>> <mailto:winterhot82 at gmail.com>**> wrote:
>> >>
>> >> > Dear Gromacs users,
>> >> >
>> >> > Greetings!!!
>> >> >
>> >> > I am very new users and I am trying to install grmacs 4.5.5 or
>> 3.3.3 for
>> >> > past four days. But still I am not able to. So I would like to
>> ask some
>> >> > questions which are below.
>> >> >
>> >> >
>> >> > 1.My laptop is a dual core, which means two processors?.So
>> should I need
>> >> > to install MPI?
>> >> >
>> >> --enable threads
>> >>
>> >> > 2.I installed gromacs 4.5.5 with mistakes. To remove
>> installing, I used
>> >> > the "which gromacs" and it shows as "/usr/bin/which: no mdrun in
>> >> >
>> (/usr/kerberos/bin:/usr/local/**bin:/usr/bin:/bin:/usr/X11R6/**
>> bin:/home/Malai/bin)".
>> >> > However, I used "rm -rf /usr/local/gromacs" to remove
>> installing I still can
>> >> > see tha gromacs files with red background in "/usr/local/bin".
>> Could you
>> >> > tell me I removed the gromacs installing?
>> >>
>> >> You have not.
>> >>
>> >> >
>> >> > 3.Could you please tell me the very simple steps for
>> installatios, since
>> >> > I am a novice.
>> >>
>> >> http://www.gromacs.org/**Downloads/Installation_**Instructions<http://www.gromacs.org/Downloads/Installation_Instructions>
>> >>
>> >> >
>> >> > Many thanks in advance for your time and help.
>> >> >
>> >> > Huang Malai
>> >> > --
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> --
> ==============================**==========
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
>
> ==============================**==========
>
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